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	hartrees
Energy at 0K	-207.401706
Energy at 298.15K	-207.405052
HF Energy	-206.781331
Nuclear repulsion energy	101.929352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3944	3670	48.54
2	A	3230	3005	3.47
3	A	3146	2928	20.18
4	A	2435	2266	0.58
5	A	1550	1443	1.89
6	A	1453	1352	50.25
7	A	1405	1307	3.08
8	A	1245	1159	17.77
9	A	1126	1048	101.18
10	A	1013	943	25.98
11	A	925	860	23.14
12	A	579	538	3.80
13	A	382	356	84.98
14	A	301	280	89.32
15	A	207	192	9.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	0.594	0.038
C2	0.826	0.109	-0.005
O3	-1.511	-0.453	-0.111
H4	-0.715	1.147	0.968
H5	-0.734	1.274	-0.793
H6	-1.416	-1.071	0.620
N7	1.920	-0.278	-0.015

	C1	C2	O3	H4	H5	H6	N7
C1		1.4823	1.4131	1.0911	1.0863	1.9540	2.6419
C2	1.4823		2.4067	2.0972	2.1011	2.6096	1.1598
O3	1.4131	2.4067		2.0874	2.0132	0.9616	3.4368
H4	1.0911	2.0972	2.0874		1.7663	2.3514	3.1523
H5	1.0863	2.1011	2.0132	1.7663		2.8214	3.1714
H6	1.9540	2.6096	0.9616	2.3514	2.8214		3.4868
N7	2.6419	1.1598	3.4368	3.1523	3.1714	3.4868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N7	178.785	C1	O3	H6	109.265
C2	C1	O3	112.425	C2	C1	H4	108.203
C2	C1	H5	108.793	O3	C1	H4	112.293
O3	C1	H5	106.578	H4	C1	H5	108.424

All results from a given calculation for HOCH₂CN (cyanomethanol)

using model chemistry: MP3/6-31+G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HOCH2CN (cyanomethanol)

using model chemistry: MP3/6-31+G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C1)

All results from a given calculation for HOCH₂CN (cyanomethanol)